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Criteria for assessing the reliability of toxicity predictions: I. TIMES Ames mutagenicity model

Autor: Petko I. Petkov, Terry W Schultz, Hristiana Ivanova, O. Mekenyan

Publikováno v: Computational Toxicology. 17:100143

The strain-dependent bacterial reverse mutation assay (Ames test) is typically part of regulatory batteries of methods used for in vitro evaluation of substances eliciting mutagenicity via short-chain-length DNA damage. This study was undertaken in a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a5e613e39c44f233bef9fafc7a3c8d75
https://doi.org/10.1016/j.comtox.2020.100143

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Criteria for assessing the reliability of the predictions: II. CATALOGIC BOD and BCF base-line models

Autor: N. Dimitrova, Terry W Schultz, Irina Dermen, O. Mekenyan

Publikováno v: Computational Toxicology. 17:100154

The OASIS CATALOGIC software is distinctive in that it requires the simulation of microbial metabolism for prediction of biodegradation and fish liver metabolism for prediction of bioaccumulation. The reliability of these structure-activity predictio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3a0dcfb4b31dd279074886b56b292c3c
https://doi.org/10.1016/j.comtox.2021.100154

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Simulation of chemical metabolism for fate and hazard assessment. IV. Computer-based derivation of metabolic simulators from documented metabolism maps

Autor: Todor Pavlov, O. Mekenyan, S. Karabunarliev, S. Dimitrov, D Nedelcheva

Publikováno v: SAR and QSAR in Environmental Research. 23:371-387

Computer simulation of xenobiotic metabolism and degradation is usually performed proceeding from a set of expert-developed rules modelling the actual enzyme-driven chemical reactions. With the accumulation of extensive metabolic pathway data, the an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55098d098f6b1eb95ba870008263fdc0
https://doi.org/10.1080/1062936x.2011.645873

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Accounting for data variability, a key factor in in vivo/in vitro relationships: application to the skin sensitization potency (in vivo LLNA versus in vitro DPRA) example

Autor: S, Dimitrov, A, Detroyer, C, Piroird, C, Gomes, J, Eilstein, T, Pauloin, C, Kuseva, H, Ivanova, I, Popova, Y, Karakolev, S, Ringeissen, O, Mekenyan

Publikováno v: Journal of applied toxicology : JAT. 36(12)

When searching for alternative methods to animal testing, confidently rescaling an in vitro result to the corresponding in vivo classification is still a challenging problem. Although one of the most important factors affecting good correlation is sa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::0a9861fcebbdab4fff8c1b96bc9a2ca3
https://pubmed.ncbi.nlm.nih.gov/27080242

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Simulation of chemical metabolism for fate and hazard assessment. I. Approach for simulating metabolism

Autor: S. Dimitrov, Gilman D. Veith, O. Mekenyan, Todor Pavlov

Publikováno v: SAR and QSAR in Environmental Research. 22:699-718

Information regarding the metabolism of xenobiotic chemicals plays a central role in regulatory risk assessments. In regulatory programmes where metabolism studies are required, the studies of metabolic pathways are often incomplete and the identific

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d707599972b0953d9f9728fdb4b2ef31
https://doi.org/10.1080/1062936x.2011.623323

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Predicting in silico the Direct-Peptide-Reactivity-Assay (DPRA) within the Allergic Contact Dermatitis framework: A module accounting for test variability and abiotic transformations

Autor: Joan Eilstein, S. Imbert, O. Mekenyan, S. Dimitrov, I. Karakolev, Ann Detroyer, C. Piroird, Chanita Kuseva, A. Del Bufalo, Hristiana Ivanova, I. Popova

Publikováno v: Toxicology Letters. 295:S97

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c77172d8c5a4e425db697089e7695dd8
https://doi.org/10.1016/j.toxlet.2018.06.599

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Strategic selection of chemicals for testing. Part I. Functionalities and performance of basic selection methods

Autor: Rossitsa Serafimova, Patricia K. Schmieder, Hristo Aladjov, O. Mekenyan, Gilman D. Veith, Milen Todorov

Publikováno v: SAR and QSAR in Environmental Research. 20:159-183

To develop quantitative structure-activity relationships (QSAR) models capable of predicting adverse effects for large chemical inventories and diverse structures, an interactive approach is presented that includes testing of strategically selected c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8872d75bf79df86995dfc2a38febca74
https://doi.org/10.1080/10629360902723996

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